6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine

C11H9N5S — CID 43809899

IUPAC6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine
SMILESNc1c(Sc2ncn[nH]2)ccc2ncccc12
InChIInChI=1S/C11H9N5S/c12-10-7-2-1-5-13-8(7)3-4-9(10)17-11-14-6-15-16-11/h1-6H,12H2,(H,14,15,16)
InChIKeyYWUVCLNVRNXOJA-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.09
Rot. Bonds2

About 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine

6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine (PubChem CID 43809899) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine.

Molecular Properties

Compound Name6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine
PubChem CID43809899
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine
SMILESNc1c(Sc2ncn[nH]2)ccc2ncccc12
InChIInChI=1S/C11H9N5S/c12-10-7-2-1-5-13-8(7)3-4-9(10)17-11-14-6-15-16-11/h1-6H,12H2,(H,14,15,16)
InChIKeyYWUVCLNVRNXOJA-UHFFFAOYSA-N
XLogP2.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine
CID 107779336
6-pyrazin-2-ylsulfanylquinolin-5-amine
CID 63380932
6-(2-bromophenyl)sulfanylquinolin-5-amine
CID 43809931
3-(5-aminoquinolin-6-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898059
2-hexyl-N-[6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-yl]decanethioamide
CID 54266598
6-(2-methylpropylsulfanyl)quinolin-5-amine
CID 43809927
2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)benzenesulfonamide
CID 112675151
4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
CID 164611705
3-(5-aminoquinolin-6-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 62882303
3-amino-N,N-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide
CID 82989401
5-amino-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide
CID 56772874
4-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)benzenesulfonamide
CID 82899611

Frequently Asked Questions

What is the IUPAC name of 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine?
The IUPAC name of 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine (CID 43809899) is 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine.
What is the SMILES notation for 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine?
The canonical SMILES for 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine is Nc1c(Sc2ncn[nH]2)ccc2ncccc12.
What is the InChIKey of 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine?
The InChIKey is YWUVCLNVRNXOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c12-10-7-2-1-5-13-8(7)3-4-9(10)17-11-14-6-15-16-11/h1-6H,12H2,(H,14,15,16).
What are the key properties of 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine?
6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine has a molecular weight of 243.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine is sourced from PubChem (CID 43809899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).